Trimethylphosphine oxide

C3H9OPCAS 676-96-092.08 g/mol

Open in Covalent MOL file
PO

Properties

Molecular formula
C3H9OP
Molar mass
92.08 g/mol
Exact mass
92.0391 Da
Melting point
140–141 °C
logP
1.24Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
676-96-0
SMILES
CP(C)(C)=O
InChIKey
LRMLWYXJORUTBG-UHFFFAOYSA-N
InChI
InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 1.50 (s, 9H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 10.9.
[M + H]+
[M + H]+ Calcd for C3H10OP 93.0464
[M + Na]+
[M + Na]+ Calcd for C3H9NaOP 115.0283
[M − H]−
[M − H]− Calcd for C3H8OP 91.0318
Elemental analysis
Anal. Calcd for C3H9OP: C, 39.13; H, 9.85.

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Names and synonyms

3 names
  • Phosphine oxide, trimethyl-
  • TMPO
  • (Dimethylphosphoryl)methane

Work with Trimethylphosphine oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl phosphonic dichloride676-97-131 % similar Methylphosphonic acid993-13-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook